UCSF

ZINC34987172

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 38 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) 5.19 13.76 -16.17 1 5 0 62 525.615 11
Lo Low (pH 4.5-6) 5.19 14.11 -48.87 2 5 1 64 526.623 11

Activity (Go SEA)

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