UCSF

ZINC37076569

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.62 6.21 -6.5 1 4 0 51 279.361 7
Mid Mid (pH 6-8) 2.62 7.46 -30.89 2 4 1 56 280.369 7

Activity (Go SEA)

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