UCSF

ZINC33583598

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 39 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) 2.65 9.59 -19.08 0 9 0 89 527.577 6
Mid Mid (pH 6-8) 2.65 11.86 -59.19 1 9 1 90 528.585 6

Activity (Go SEA)

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