UCSF

ZINC32027082

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) 2.87 5.41 -49.2 3 2 1 31 255.451 7
Mid Mid (pH 6-8) 2.87 6.72 -27.41 3 2 1 30 255.451 7
Lo Low (pH 4.5-6) 2.87 7.37 -120.73 4 2 2 32 256.459 7

Activity (Go SEA)

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