UCSF

ZINC37106905

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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 10.96 -39.32 2 3 1 34 282.411 3
Hi High (pH 8-9.5) 2.12 10.28 -5.95 1 3 0 30 281.403 3
Mid Mid (pH 6-8) 2.12 12.11 -104.23 3 3 2 36 283.419 3

Activity (Go SEA)

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