UCSF

ZINC20225992

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 15 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) 0.78 0.46 -52.06 4 3 1 51 229.731 5
Hi High (pH 8-9.5) 0.78 1.93 -35.95 4 3 1 51 229.731 5
Mid Mid (pH 6-8) 0.78 2.57 -127.31 5 3 2 52 230.739 5

Activity (Go SEA)

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