UCSF

ZINC34669087

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 30 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) 1.47 2.96 -11.69 1 7 0 61 433.553 7
Mid Mid (pH 6-8) 1.47 5.2 -57.36 2 7 1 62 434.561 7
Lo Low (pH 4.5-6) 1.47 7.46 -105.87 3 7 2 63 435.569 7

Activity (Go SEA)

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