UCSF

ZINC08383629

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 36 No

Other Names:

MFCD05155316

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) 2.19 -1.63 -57.95 2 9 1 98 495.552 8
Mid Mid (pH 6-8) 1.61 -1.79 -67.18 1 9 1 95 495.552 8

Activity (Go SEA)

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