UCSF

ZINC12021624

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 29 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) 2.15 6.84 -53.76 2 7 1 88 416.523 6
Mid Mid (pH 6-8) 2.15 4.3 -19.77 1 7 0 87 415.515 6

Activity (Go SEA)

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