UCSF

ZINC23114871

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 16 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) -0.24 1.58 -40.17 2 4 1 41 222.312 4
Mid Mid (pH 6-8) -0.24 -0.75 -7.27 1 4 0 40 221.304 4

Activity (Go SEA)

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