UCSF

ZINC36877168

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 1.48 6.31 -45.21 4 3 1 56 266.368 3
Hi High (pH 8-9.5) 1.48 6.51 -8.58 3 3 0 55 265.36 3
Lo Low (pH 4.5-6) 1.48 7.29 -118.02 5 3 2 58 267.376 3

Activity (Go SEA)

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