UCSF

ZINC36955599

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 5.07 6.48 -5.21 2 3 0 41 326.223 6
Mid Mid (pH 6-8) 5.07 7.23 -37.76 1 3 -1 44 325.215 6

Activity (Go SEA)

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