UCSF

ZINC42890596

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 5.20 8.01 -46.95 3 2 1 37 383.718 3
Mid Mid (pH 6-8) 5.20 7.59 -4.82 2 2 0 35 382.71 3

Activity (Go SEA)

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