UCSF

ZINC02636003

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 26 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) 3.91 -0.99 -10.68 1 6 0 73 379.478 6
Hi High (pH 8-9.5) 3.91 -0.41 -42.92 0 6 -1 75 378.47 6

Activity (Go SEA)

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