UCSF

ZINC32903599

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 24 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) 3.28 6.64 -12.51 1 5 0 54 325.412 5
Mid Mid (pH 6-8) 3.28 6.93 -41.67 2 5 1 56 326.42 5

Activity (Go SEA)

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