UCSF

ZINC34526726

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 3.42 4.91 -43.49 3 6 1 82 356.427 6
Hi High (pH 8-9.5) 3.42 4.45 -43.84 1 6 -1 82 354.411 6
Mid Mid (pH 6-8) 3.42 4.43 -11.12 2 6 0 80 355.419 6

Activity (Go SEA)

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