UCSF

ZINC36987602

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 14 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) 0.58 3.84 -7.65 1 3 0 49 189.262 5
Mid Mid (pH 6-8) 0.58 5.06 -49.36 2 3 1 53 190.27 5

Activity (Go SEA)

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