UCSF

ZINC35284806

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 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) 2.99 2.12 -9.04 2 4 0 66 301.726 3
Mid Mid (pH 6-8) 2.99 2.19 -43.17 1 4 -1 68 300.718 3

Activity (Go SEA)

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