UCSF

ZINC37038004

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.68 4.23 -49.56 3 4 1 51 254.398 4
Mid Mid (pH 6-8) 0.68 6.04 -114.23 4 4 2 52 255.406 4

Activity (Go SEA)

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