UCSF

ZINC24992209

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 24 No

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) 2.04 9.14 -109.84 2 5 2 40 366.556 7
Mid Mid (pH 6-8) 2.04 6.6 -43.61 1 5 1 39 365.548 7

Activity (Go SEA)

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