UCSF

ZINC37856252

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.50 -0.53 -41.97 1 5 -1 82 283.354 3
Hi High (pH 8-9.5) 2.50 -0.46 -101.25 0 5 -2 84 282.346 3
Mid Mid (pH 6-8) 2.04 1.77 -40.91 1 5 -1 81 283.354 3
Mid Mid (pH 6-8) 2.04 1.6 -10.34 2 5 0 79 284.362 3

Activity (Go SEA)

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