UCSF

ZINC45699557

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 2.24 6.77 -95.22 4 4 2 51 302.503 11
Hi High (pH 8-9.5) 2.24 5.42 -34.14 3 4 1 46 301.495 11

Activity (Go SEA)

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