UCSF

ZINC37635411

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 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) 3.41 9.31 -43.94 2 3 1 20 282.411 5
Mid Mid (pH 6-8) 3.41 7.1 -4.4 1 3 0 19 281.403 5

Activity (Go SEA)

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