UCSF

ZINC31963881

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 3.17 8.1 -49.15 2 5 1 52 375.514 6
Mid Mid (pH 6-8) 3.17 6.1 -9.21 1 5 0 51 374.506 6

Activity (Go SEA)

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