UCSF

ZINC00933581

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 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) 3.04 10.11 -13.75 1 6 0 69 382.489 8
Mid Mid (pH 6-8) 2.60 6.74 -20.68 1 8 0 110 497.598 10

Activity (Go SEA)

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