UCSF

ZINC36731779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 15 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) 0.27 3.06 -109.65 5 4 2 61 215.341 8
Hi High (pH 8-9.5) 0.27 1 -43.77 4 4 1 60 214.333 8
Mid Mid (pH 6-8) 0.27 2.68 -36.29 4 4 1 60 214.333 8

Activity (Go SEA)

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