UCSF

ZINC37037815

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.71 2.01 -52.22 4 6 1 72 293.391 5
Mid Mid (pH 6-8) 0.71 4.21 -121.1 5 6 2 74 294.399 5

Activity (Go SEA)

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