UCSF

ZINC41732021

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 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) 1.63 8.07 -45.79 3 2 1 33 299.291 2
Hi High (pH 8-9.5) 1.63 7.75 -5.11 2 2 0 31 298.283 2

Activity (Go SEA)

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