UCSF

ZINC33816978

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.67 5.65 -44.15 2 4 0 66 282.221 3
Mid Mid (pH 6-8) 2.67 4.29 -7.04 2 4 0 62 282.221 3
Mid Mid (pH 6-8) 2.67 5.15 -47.29 1 4 -1 65 281.213 3
Lo Low (pH 4.5-6) 2.67 4.71 -46.02 3 4 1 63 283.229 3

Activity (Go SEA)

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