UCSF

ZINC52275587

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 13 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) 1.89 3.99 -34.21 2 2 1 20 183.319 3
Hi High (pH 8-9.5) 1.89 2.88 -0.81 1 2 0 15 182.311 3
Mid Mid (pH 6-8) 1.89 5.23 -30.63 2 2 1 16 183.319 3

Activity (Go SEA)

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