UCSF

ZINC40563929

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 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) 5.74 12.08 -43.88 2 3 1 35 389.302 7
Mid Mid (pH 6-8) 5.74 10.7 -5.19 1 3 0 30 388.294 7

Activity (Go SEA)

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