UCSF

ZINC22455673

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 25 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 9.86 -41.85 1 4 1 38 337.443 7
Hi High (pH 8-9.5) 2.98 7.59 -11.86 0 4 0 37 336.435 7
Mid Mid (pH 6-8) 2.98 10.2 -49.35 1 4 1 38 337.443 7

Activity (Go SEA)

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