UCSF

ZINC08996882

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 32 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) 3.00 9.01 -48.59 2 7 1 81 437.516 7
Mid Mid (pH 6-8) 1.97 9.64 -48.11 1 7 1 77 437.516 8

Activity (Go SEA)

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