UCSF

ZINC36753898

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 15 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) 0.91 4.89 -36.78 3 4 1 57 215.317 6
Hi High (pH 8-9.5) 0.91 3.04 -44.58 3 4 1 57 215.317 6
Lo Low (pH 4.5-6) 0.91 5.21 -106.57 4 4 2 58 216.325 6

Activity (Go SEA)

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