UCSF

ZINC36907767

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 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) 2.98 9.19 -74.7 3 3 2 21 285.52 8
Mid Mid (pH 6-8) 2.98 7.74 -97.4 3 3 2 24 285.52 8
Mid Mid (pH 6-8) 2.98 10.03 -172.69 4 3 3 25 286.528 8

Activity (Go SEA)

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