UCSF

ZINC53133101

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) -1.38 0.47 -51.8 3 5 1 79 205.241 3
Hi High (pH 8-9.5) -1.38 0.12 -8.95 2 5 0 78 204.233 3
Lo Low (pH 4.5-6) -1.38 0.92 -91.29 4 5 2 81 206.249 3

Activity (Go SEA)

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