UCSF

ZINC37853282

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) 2.29 6.21 -6.99 1 4 0 48 263.337 7
Mid Mid (pH 6-8) 2.29 7.3 -33.99 2 4 1 52 264.345 7

Activity (Go SEA)

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