UCSF

ZINC36876331

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) 1.50 4.18 -50.12 4 3 1 56 267.15 3
Lo Low (pH 4.5-6) 1.50 4.58 -113.51 5 3 2 58 268.158 3
Lo Low (pH 4.5-6) 1.50 4.61 -113.5 5 3 2 58 268.158 3

Activity (Go SEA)

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