UCSF

ZINC19919111

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 17 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) 3.18 8.53 -113.08 3 2 2 21 305.235 7
Hi High (pH 8-9.5) 3.18 5.07 -2.2 1 2 0 15 303.219 7
Mid Mid (pH 6-8) 3.18 7.05 -34.41 2 2 1 16 304.227 7
Mid Mid (pH 6-8) 3.18 6.45 -38.78 2 2 1 20 304.227 7

Activity (Go SEA)

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