UCSF

ZINC19210359

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 25 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) 2.34 7.97 -44.46 2 6 1 63 341.435 3
Hi High (pH 8-9.5) 2.80 4.59 -48.11 0 6 -1 65 339.419 3
Mid Mid (pH 6-8) 2.34 5.57 -11.35 1 6 0 61 340.427 3
Mid Mid (pH 6-8) 2.80 6.99 -49.11 1 6 0 66 340.427 3

Activity (Go SEA)

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