UCSF

ZINC23140237

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 26 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 9.4 -38.13 2 4 1 37 350.486 5
Hi High (pH 8-9.5) 3.09 6.97 -11.11 1 4 0 36 349.478 5

Activity (Go SEA)

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