UCSF

ZINC37111209

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.12 4.6 -135.47 4 4 2 51 266.385 6
Hi High (pH 8-9.5) 2.12 5.43 -34.34 3 4 1 49 265.377 6
Mid Mid (pH 6-8) 2.12 4.37 -52.19 3 4 1 49 265.377 6

Activity (Go SEA)

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