UCSF

ZINC35015605

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 0.88 7.7 -53.22 2 5 1 53 290.387 10
Hi High (pH 8-9.5) 0.88 6.34 -9.7 1 5 0 48 289.379 10
Mid Mid (pH 6-8) 0.88 8.21 -90.56 3 5 2 54 291.395 10

Activity (Go SEA)

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