UCSF

ZINC36996809

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 3.11 9.14 -33.93 2 2 1 20 285.455 2
Lo Low (pH 4.5-6) 3.11 11.4 -106.96 3 2 2 21 286.463 2

Activity (Go SEA)

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