UCSF

ZINC08450672

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2006 30 Yes

Other Names:

MFCD02955740

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) 4.05 1.53 -13.02 0 7 0 82 421.478 5
Lo Low (pH 4.5-6) 4.05 1.63 -54.96 1 7 1 84 422.486 5

Activity (Go SEA)

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