UCSF

ZINC34681415

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 3.10 7.93 -19.48 1 9 0 101 496.589 7
Mid Mid (pH 6-8) 3.10 8.25 -50.45 2 9 1 102 497.597 7

Activity (Go SEA)

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