UCSF

ZINC20145645

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 14 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) 2.98 5.24 -31.68 2 2 1 20 201.378 7
Hi High (pH 8-9.5) 2.98 7.1 -29.62 2 2 1 16 201.378 7
Mid Mid (pH 6-8) 2.98 7.35 -113.01 3 2 2 21 202.386 7

Activity (Go SEA)

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