UCSF

ZINC37839727

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) 1.13 5.99 -39.26 3 4 1 51 260.361 1
Mid Mid (pH 6-8) 1.13 3.73 -6.94 2 4 0 50 259.353 1

Activity (Go SEA)

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