UCSF

ZINC41304748

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 22 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) 4.35 9.74 -14.12 1 4 0 46 358.239 4
Lo Low (pH 4.5-6) 4.35 10.18 -35.02 2 4 1 48 359.247 4

Activity (Go SEA)

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