UCSF

ZINC42869575

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 15 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) 2.19 3.01 -37.49 3 3 1 44 228.385 6
Mid Mid (pH 6-8) 2.19 5.03 -113.95 4 3 2 45 229.393 6
Mid Mid (pH 6-8) 2.19 4.99 -31.16 3 3 1 43 228.385 6

Activity (Go SEA)

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