UCSF

ZINC36753858

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 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) 1.12 5.21 -46.97 3 4 1 51 341.273 4
Lo Low (pH 4.5-6) 1.12 7.41 -111.8 4 4 2 52 342.281 4

Activity (Go SEA)

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