UCSF

ZINC08438681

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 29 No

Other Names:

MFCD03779463

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) 2.59 5.75 -63.84 1 6 -1 90 463.279 8
Mid Mid (pH 6-8) 3.03 -3.64 -34.71 2 6 0 87 464.287 7
Mid Mid (pH 6-8) 2.00 -3.34 -28.05 1 6 0 83 464.287 8

Activity (Go SEA)

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