UCSF

ZINC00141393

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 3.34 4.66 -15.85 2 4 0 67 323.142 4
Hi High (pH 8-9.5) 3.34 5.67 -59.06 1 4 -1 70 322.134 4

Activity (Go SEA)

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