UCSF

ZINC32189717

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 19 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) 2.47 3.28 -44.47 4 3 1 57 256.325 2
Mid Mid (pH 6-8) 2.47 2.01 -6.88 3 3 0 52 255.317 2

Activity (Go SEA)

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