UCSF

ZINC21576946

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 26 No

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) 0.85 6.23 -45.39 3 7 1 89 362.45 9
Hi High (pH 8-9.5) 0.85 4.76 -15.05 2 7 0 88 361.442 9
Mid Mid (pH 6-8) 1.03 3.88 -46.98 2 7 0 95 361.442 9

Activity (Go SEA)

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