UCSF

ZINC37811463

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.33 5.35 -96.68 4 4 2 52 269.414 3
Hi High (pH 8-9.5) 0.33 3.14 -9.84 2 4 0 50 267.398 3
Mid Mid (pH 6-8) 0.33 3.46 -44.71 3 4 1 51 268.406 3

Activity (Go SEA)

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