UCSF

ZINC35480186

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 3.10 4.71 -17 2 6 0 79 365.842 3
Mid Mid (pH 6-8) 3.10 4.85 -49.78 1 6 -1 81 364.834 3

Activity (Go SEA)

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