UCSF

ZINC35598316

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 30 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) 2.13 3.44 -14.95 2 8 0 83 407.474 6
Mid Mid (pH 6-8) 2.13 4.13 -35.15 3 8 1 84 408.482 6
Lo Low (pH 4.5-6) 2.13 5.7 -46.83 3 8 1 84 408.482 6

Activity (Go SEA)

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