UCSF

ZINC08438779

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 31 No

Other Names:

MFCD06590960

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) 1.35 -2.74 -59.5 4 8 1 120 425.461 10
Mid Mid (pH 6-8) 0.77 -2.84 -70.9 3 8 1 117 425.461 10

Activity (Go SEA)

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