UCSF

ZINC28013848

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 24 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 4 -12.21 1 6 0 60 336.432 7
Mid Mid (pH 6-8) 1.76 5.99 -49.72 2 6 1 61 337.44 7

Activity (Go SEA)

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