UCSF

ZINC34527026

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 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) 2.00 3.02 -5.53 1 4 0 36 302.418 5
Mid Mid (pH 6-8) 2.00 5.29 -39.66 2 4 1 37 303.426 5
Mid Mid (pH 6-8) 2.00 5.29 -44.08 2 4 1 37 303.426 5
Lo Low (pH 4.5-6) 2.00 7.56 -113.74 3 4 2 38 304.434 5

Activity (Go SEA)

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