UCSF

ZINC36732129

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 0.62 2.75 -47.47 4 4 1 60 254.398 7
Mid Mid (pH 6-8) 0.62 4.01 -31.28 4 4 1 60 254.398 7

Activity (Go SEA)

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