UCSF

ZINC12041996

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2008 31 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) 3.95 11.36 -18.81 2 6 0 102 447.903 4
Hi High (pH 8-9.5) 4.26 9.95 -55.04 1 6 -1 106 446.895 4

Activity (Go SEA)

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