UCSF

ZINC43247641

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 3.86 7.45 -40.75 3 2 1 31 281.489 4
Hi High (pH 8-9.5) 3.86 6.72 -1.21 2 2 0 29 280.481 4
Mid Mid (pH 6-8) 3.86 7.93 -26.06 3 2 1 30 281.489 4
Mid Mid (pH 6-8) 3.86 8.36 -109.94 4 2 2 32 282.497 4

Activity (Go SEA)

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