UCSF

ZINC27792510

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 27 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) 5.24 13.46 -12.25 0 4 0 38 367.537 7
Mid Mid (pH 6-8) 5.24 13.85 -39.15 1 4 1 39 368.545 7

Activity (Go SEA)

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