UCSF

ZINC08384170

Substance Information

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

Other Names:

MFCD04148036

Download: MOL2 SDF SMILES Flexibase

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) 3.96 10.25 -62.29 0 8 -1 97 494.564 14
Mid Mid (pH 6-8) 3.38 0.71 -25.22 0 8 0 91 495.572 14
Mid Mid (pH 6-8) 4.41 0.42 -31.63 1 8 0 94 495.572 13

Activity (Go SEA)

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