UCSF

ZINC32721378

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 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) 0.71 5.13 -9.7 0 4 0 36 259.353 3
Mid Mid (pH 6-8) 0.71 7.41 -51.25 1 4 1 38 260.361 3

Activity (Go SEA)

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