UCSF

ZINC23283085

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 23 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) 3.70 11.03 -38.96 2 2 1 16 307.461 4
Mid Mid (pH 6-8) 3.70 9.89 -43.25 2 2 1 20 307.461 4
Lo Low (pH 4.5-6) 3.70 12.18 -119.3 3 2 2 21 308.469 4

Activity (Go SEA)

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