UCSF

ZINC36670697

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 20 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) 3.92 8.95 -47.18 3 3 1 45 331.237 2
Mid Mid (pH 6-8) 3.92 8.54 -6.24 2 3 0 44 330.229 2
Lo Low (pH 4.5-6) 3.92 9.43 -104.9 4 3 2 47 332.245 2

Activity (Go SEA)

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