UCSF

ZINC36877179

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 0.32 5.25 -43.32 4 3 1 56 216.308 3
Hi High (pH 8-9.5) 0.32 4.95 -7 3 3 0 55 215.3 3
Lo Low (pH 4.5-6) 0.32 5.34 -113.34 5 3 2 58 217.316 3

Activity (Go SEA)

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