UCSF

ZINC04062974

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 28 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) 2.56 -2.05 -11.93 1 7 0 94 387.432 7
Mid Mid (pH 6-8) 2.56 -1.93 -16.18 1 7 0 94 387.432 7
Mid Mid (pH 6-8) 2.75 -0.57 -20.47 1 7 0 94 387.432 7
Mid Mid (pH 6-8) 2.75 -1.81 -13.17 1 7 0 94 387.432 7

Activity (Go SEA)

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