UCSF

ZINC34677430

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 26 Yes

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) 1.76 2.03 -43.53 3 7 1 83 365.498 10
Mid Mid (pH 6-8) 1.76 -0.26 -7.8 2 7 0 82 364.49 10
Lo Low (pH 4.5-6) 1.76 2.06 -42.25 3 7 1 83 365.498 10

Activity (Go SEA)

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