UCSF

ZINC06458911

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2006 34 No

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) 2.89 0.4 -57.93 2 8 -1 127 464.494 11
Mid Mid (pH 6-8) 2.30 0.65 -58.91 1 8 -1 124 464.494 11

Activity (Go SEA)

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