UCSF

ZINC27088818

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 27 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) 0.01 9.14 -94.58 1 6 0 70 381.354 3
Mid Mid (pH 6-8) 0.01 6.66 -62.16 0 6 -1 69 380.346 3
Lo Low (pH 4.5-6) -2.73 8.18 -69.78 2 6 1 73 382.362 2

Activity (Go SEA)

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