UCSF

ZINC34981316

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 2.20 5.19 -50.72 2 5 1 59 283.392 9
Hi High (pH 8-9.5) 2.20 3.82 -5.35 1 5 0 55 282.384 9
Mid Mid (pH 6-8) 2.20 7.43 -124.54 3 5 2 60 284.4 9
Mid Mid (pH 6-8) 2.20 6.07 -36.9 2 5 1 56 283.392 9

Activity (Go SEA)

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