UCSF

ZINC40477058

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 20 Yes

Other Names:

MFCD18170393

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) 4.11 5.87 -43.25 3 3 1 46 292.786 5
Hi High (pH 8-9.5) 4.11 4.75 -6.33 2 3 0 41 291.778 5

Activity (Go SEA)

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