UCSF

ZINC02402985

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 21 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) 4.05 8.13 -35.23 0 4 -1 49 316.793 3
Hi High (pH 8-9.5) 5.00 6.36 -39.69 0 4 -1 53 316.793 2

Activity (Go SEA)

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