UCSF

ZINC43980753

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 3.70 6.52 -34.27 2 2 1 20 267.359 7
Lo Low (pH 4.5-6) 3.70 8.23 -111.51 3 2 2 21 268.367 7

Activity (Go SEA)

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