UCSF

ZINC35647519

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 19 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) 1.17 0.84 -46.12 1 5 -1 81 277.325 4
Mid Mid (pH 6-8) 1.17 0.94 -10.61 2 5 0 79 278.333 4
Lo Low (pH 4.5-6) 1.17 1.3 -49.36 2 5 0 83 278.333 4

Activity (Go SEA)

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