UCSF

ZINC52299311

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 0.36 6.28 -38.51 3 2 1 33 205.325 1
Hi High (pH 8-9.5) 0.36 5.97 -4.59 2 2 0 31 204.317 1

Activity (Go SEA)

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