UCSF

ZINC32509018

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 18 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) 0.89 3.32 -7.32 0 4 0 27 253.39 3
Mid Mid (pH 6-8) 0.89 5.61 -43.72 1 4 1 28 254.398 3
Mid Mid (pH 6-8) 0.89 5.55 -44.82 1 4 1 28 254.398 3
Lo Low (pH 4.5-6) 0.89 7.83 -114.67 2 4 2 29 255.406 3

Activity (Go SEA)

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