UCSF

ZINC37081387

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.86 6.04 -49.16 3 3 1 44 228.319 3
Hi High (pH 8-9.5) 1.86 5.61 -6.61 2 3 0 42 227.311 3
Mid Mid (pH 6-8) 1.86 6.49 -96.24 4 3 2 45 229.327 3

Activity (Go SEA)

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