UCSF

ZINC41685129

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 3.08 6.59 -66.14 4 5 0 83 265.357 7
Hi High (pH 8-9.5) 3.08 4.17 -49.49 3 5 -1 81 264.349 7
Lo Low (pH 4.5-6) 3.08 6.42 -72.26 5 5 1 84 266.365 7

Activity (Go SEA)

Rings

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