UCSF

ZINC20524017

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 18 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) 2.03 8.55 -78.21 3 3 2 21 255.45 5
Hi High (pH 8-9.5) 2.03 6.7 -27.59 2 3 1 20 254.442 5
Mid Mid (pH 6-8) 2.03 6.64 -107.57 3 3 2 24 255.45 5
Mid Mid (pH 6-8) 2.03 6.85 -100.55 3 3 2 24 255.45 5
Lo Low (pH 4.5-6) 2.03 9.04 -195 4 3 3 25 256.458 5

Activity (Go SEA)

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