UCSF

ZINC04901584

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 21 No

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) 1.84 3.59 -57.58 1 5 -1 82 282.275 3
Mid Mid (pH 6-8) 2.29 -2.2 -26.35 2 5 0 79 283.283 2
Mid Mid (pH 6-8) 1.25 -1.91 -21.12 1 5 0 76 283.283 3

Activity (Go SEA)

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