UCSF

ZINC08743289

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 27 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) 3.57 9.02 -16.91 1 6 0 70 384.457 7
Hi High (pH 8-9.5) 3.76 7.97 -45.64 0 6 -1 76 383.449 7

Activity (Go SEA)

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