UCSF

ZINC45628319

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.70 6.65 -40.04 3 4 1 63 266.361 9
Mid Mid (pH 6-8) 2.70 6.25 -5.39 2 4 0 62 265.353 9

Activity (Go SEA)

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