UCSF

ZINC20047826

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 17 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) 1.27 3.87 -37.64 3 4 1 46 242.387 7
Hi High (pH 8-9.5) 1.27 1.77 -7.48 2 4 0 44 241.379 7
Mid Mid (pH 6-8) 1.27 5.28 -106.14 4 4 2 50 243.395 7
Mid Mid (pH 6-8) 1.27 3.06 -43.76 3 4 1 49 242.387 7

Activity (Go SEA)

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