UCSF

ZINC12947816

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 19 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) 2.26 1.35 -7.31 2 4 0 58 275.377 5
Mid Mid (pH 6-8) 2.26 2.98 -36.86 3 4 1 59 276.385 5

Activity (Go SEA)

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