UCSF

ZINC22042649

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 23 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) 4.36 10.95 -131.56 4 2 2 33 312.501 6
Hi High (pH 8-9.5) 4.36 9.9 -41.21 3 2 1 29 311.493 6
Mid Mid (pH 6-8) 4.36 9.65 -40.28 3 2 1 29 311.493 6

Activity (Go SEA)

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