UCSF

ZINC15884921

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 1.27 2.7 -19.55 3 10 0 149 373.35 5
Ref Reference (pH 7) 1.27 2.83 -17.5 3 10 0 149 373.35 5
Mid Mid (pH 6-8) 1.73 0.82 -43.69 2 10 -1 152 372.342 5
Mid Mid (pH 6-8) 2.18 1.29 -47 2 10 -1 156 372.342 5
Mid Mid (pH 6-8) 1.73 1.08 -37.36 2 10 -1 152 372.342 5
Mid Mid (pH 6-8) 2.18 0.35 -41.75 2 10 -1 156 372.342 5

Activity (Go SEA)

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