UCSF

ZINC70515787

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 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) 2.79 6.47 -46.25 3 4 1 55 290.431 8
Hi High (pH 8-9.5) 2.79 4.96 -10.56 2 4 0 50 289.423 8
Mid Mid (pH 6-8) 2.79 6.55 -74.32 4 4 2 56 291.439 8

Activity (Go SEA)

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