UCSF

ZINC34677674

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 33 Yes

Popular Name: (3R)-N,N-diethyl-1-[2-[[4-[(2S)-2-hydroxy-3-methyl-butyl]piperazin-1-yl]methyl]oxazole-4-carbonyl]pi (3R)-N,N-diethyl-1-[2-[[4-[(2S)-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.19 4.97 -51.18 2 9 1 95 464.631 9 ↓
Mid Mid (pH 6-8) 1.19 2.87 -11.07 1 9 0 93 463.623 9 ↓
Lo Low (pH 4.5-6) 1.19 5.22 -48.21 2 9 1 95 464.631 9 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )