UCSF

ZINC01063728

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 23 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) 2.77 9.66 -15.28 1 5 0 48 305.385 4
Mid Mid (pH 6-8) 2.77 10.15 -37.28 2 5 1 49 306.393 4
Mid Mid (pH 6-8) 2.77 10.08 -35.81 2 5 1 49 306.393 4
Mid Mid (pH 6-8) 2.77 10.57 -74.76 3 5 2 50 307.401 4

Activity (Go SEA)

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