UCSF

ZINC00290362

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 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) 1.87 7.15 -22.58 1 5 0 68 264.306 5
Hi High (pH 8-9.5) 2.06 5.39 -50.67 0 5 -1 75 263.298 5

Activity (Go SEA)

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