UCSF

ZINC34591673

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 33 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) 2.18 -0.21 -20.55 4 12 0 169 467.406 9
Mid Mid (pH 6-8) 2.63 -1.88 -57.23 3 12 -1 172 466.398 9

Activity (Go SEA)

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