UCSF

ZINC37039538

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.35 3.82 -91.23 6 6 2 91 293.415 7
Mid Mid (pH 6-8) -0.35 1.59 -49.3 5 6 1 90 292.407 7

Activity (Go SEA)

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