UCSF

ZINC16976891

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 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) 4.28 9.95 -56.61 0 4 -1 60 411.275 5
Mid Mid (pH 6-8) 3.70 10.66 -9.81 0 4 0 54 412.283 5
Mid Mid (pH 6-8) 4.73 10.05 -10.4 1 4 0 58 412.283 4

Activity (Go SEA)

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