UCSF

ZINC35037079

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 1.78 4.55 -38.54 2 4 1 45 263.361 5
Hi High (pH 8-9.5) 1.78 3.05 -42.55 0 4 -1 47 261.345 5
Mid Mid (pH 6-8) 1.78 2.27 -8.3 1 4 0 44 262.353 5

Activity (Go SEA)

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