UCSF

ZINC35765586

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 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) 1.79 4 -0.76 3 3 0 34 266.453 4
Hi High (pH 8-9.5) 1.79 4.99 -0.68 3 3 0 34 266.453 4
Hi High (pH 8-9.5) 1.79 5.06 -48.73 4 3 0 35 267.461 4
Mid Mid (pH 6-8) 1.79 6.57 -33.49 4 3 0 35 267.461 4
Mid Mid (pH 6-8) 1.79 2.69 -0.49 3 3 0 34 266.453 4
Lo Low (pH 4.5-6) 1.79 6.62 -21.51 5 3 0 37 268.469 4

Activity (Go SEA)

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