UCSF

ZINC00241461

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 No

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) 3.98 8.73 -20.29 1 6 0 88 319.386 4
Hi High (pH 8-9.5) 4.05 7.82 -47 0 6 -1 94 318.378 4

Activity (Go SEA)

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