UCSF

ZINC48580482

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 17 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) 3.72 7.11 -14.31 1 3 0 42 292.111 1
Hi High (pH 8-9.5) 3.72 6.69 -44.19 0 3 -1 40 291.103 1
Lo Low (pH 4.5-6) 3.72 7.32 -27.8 2 3 1 43 293.119 1

Activity (Go SEA)

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