UCSF

ZINC08723342

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 16 Yes

Other Names:

MFCD08728525

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) 1.70 5.12 -8.49 1 3 0 42 218.3 4
Lo Low (pH 4.5-6) 1.70 5.4 -36.89 2 3 1 43 219.308 4

Activity (Go SEA)

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