UCSF

ZINC32819263

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.79 11.39 -51.71 2 3 1 34 278.379 5
Mid Mid (pH 6-8) 2.79 10.11 -6.86 1 3 0 30 277.371 5
Lo Low (pH 4.5-6) 2.79 11.87 -91.69 3 3 2 36 279.387 5

Activity (Go SEA)

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