UCSF

ZINC03449552

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 27 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) 3.88 10.05 -18.13 1 7 0 97 387.392 5
Hi High (pH 8-9.5) 3.95 8.05 -43.42 0 7 -1 103 386.384 5

Activity (Go SEA)

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