UCSF

ZINC06161993

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2006 40 No

Other Names:

MFCD02732047

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) 6.10 2.08 -14.51 0 8 0 92 549.664 12
Mid Mid (pH 6-8) 6.28 0.81 -15.98 0 8 0 92 549.664 12
Mid Mid (pH 6-8) 6.10 1.72 -19 0 8 0 92 549.664 12

Activity (Go SEA)

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