UCSF

ZINC02846894

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 23 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) 4.90 14.66 -8.08 2 6 0 66 312.421 6
Lo Low (pH 4.5-6) 4.90 15.09 -24.52 3 6 1 67 313.429 6

Activity (Go SEA)

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