UCSF

ZINC36721955

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 0.42 -2.3 -41.52 2 7 -1 121 330.342 4
Lo Low (pH 4.5-6) 0.42 -1.85 -48.11 3 7 0 123 331.35 4

Activity (Go SEA)

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