UCSF

ZINC36874070

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) 2.11 5.98 -41.17 3 3 1 45 250.272 2
Hi High (pH 8-9.5) 2.11 4.33 -6.8 2 3 0 41 249.264 2
Lo Low (pH 4.5-6) 2.11 6.41 -118.3 4 3 2 47 251.28 2

Activity (Go SEA)

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