UCSF

ZINC00883891

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2004 27 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) 3.44 -2.91 -13.49 2 6 0 68 367.449 6
Mid Mid (pH 6-8) 3.44 -2.7 -31.12 3 6 1 69 368.457 6

Activity (Go SEA)

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