UCSF

ZINC36874102

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 2.73 6.8 -37.08 3 3 1 45 262.764 2
Hi High (pH 8-9.5) 2.73 5.21 -7.3 2 3 0 41 261.756 2
Lo Low (pH 4.5-6) 2.73 7.2 -106.57 4 3 2 47 263.772 2

Activity (Go SEA)

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