UCSF

ZINC37856641

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 0.12 -0.69 -13.82 2 6 0 92 285.35 4
Mid Mid (pH 6-8) 0.58 -2.98 -43.54 1 6 -1 95 284.342 4
Lo Low (pH 4.5-6) 0.12 -0.29 -43.28 3 6 1 93 286.358 4

Activity (Go SEA)

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