UCSF

ZINC08387067

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 37 No

Other Names:

MFCD01238180

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) 5.91 -0.31 -53.23 1 9 -1 147 508.539 8
Lo Low (pH 4.5-6) 5.91 -0.12 -68.08 2 9 0 148 509.547 8

Activity (Go SEA)

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