UCSF

ZINC53374593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 21 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) 2.03 5.25 -40.93 2 4 1 26 311.881 7
Hi High (pH 8-9.5) 2.03 3.88 -3 1 4 0 22 310.873 7
Hi High (pH 8-9.5) 2.03 6.36 -34.68 2 4 1 23 311.881 7
Mid Mid (pH 6-8) 2.03 7.72 -113.24 3 4 2 28 312.889 7
Lo Low (pH 4.5-6) 2.03 8.56 -88.52 3 4 2 24 312.889 7

Activity (Go SEA)

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