UCSF

ZINC44724094

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 14 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) 0.35 3.57 -27.72 2 4 1 40 198.29 6
Hi High (pH 8-9.5) 0.35 3.12 -7.26 1 4 0 39 197.282 6
Mid Mid (pH 6-8) 0.35 4.33 -39.67 2 4 1 44 198.29 6
Mid Mid (pH 6-8) 0.35 4.8 -100.08 3 4 2 45 199.298 6

Activity (Go SEA)

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