UCSF

ZINC44503729

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 18 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) -1.51 -0.84 -46.64 5 7 1 111 253.282 3
Hi High (pH 8-9.5) -1.06 -2.32 -95.73 4 7 0 115 252.274 3
Mid Mid (pH 6-8) -1.06 -2.76 -57.54 4 7 0 115 252.274 3

Activity (Go SEA)

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