UCSF

ZINC12023879

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.19 8.17 -56.71 2 7 1 88 464.995 7
Mid Mid (pH 6-8) 3.19 5.9 -21.66 1 7 0 87 463.987 7

Activity (Go SEA)

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