UCSF

ZINC34741373

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 19 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) 1.76 6.21 -95.17 5 3 2 44 263.429 6
Mid Mid (pH 6-8) 1.76 4.2 -43.56 4 3 1 43 262.421 6

Activity (Go SEA)

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