UCSF

ZINC45701144

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 2.00 7.02 -96.21 4 4 2 50 271.449 9
Hi High (pH 8-9.5) 2.00 5.67 -36.8 3 4 1 46 270.441 9

Activity (Go SEA)

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