UCSF

ZINC37820714

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 1.05 1.61 -37.7 5 5 1 91 268.381 3
Hi High (pH 8-9.5) 1.05 1.25 -10.97 4 5 0 89 267.373 3

Activity (Go SEA)

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