UCSF

ZINC53437009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 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) 1.56 3.2 -36.35 2 4 1 38 247.403 13
Hi High (pH 8-9.5) 1.56 1.85 -3.04 1 4 0 34 246.395 13
Mid Mid (pH 6-8) 1.56 4.4 -30.15 2 4 1 35 247.403 13
Lo Low (pH 4.5-6) 1.56 5.74 -104.7 3 4 2 40 248.411 13

Activity (Go SEA)

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