UCSF

ZINC36780699

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 0.46 2.7 -45.31 3 6 0 95 223.232 5
Mid Mid (pH 6-8) 0.46 2.23 -53.1 2 6 -1 94 222.224 5

Activity (Go SEA)

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