UCSF

ZINC40477034

Substance Information

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

Other Names:

MFCD18170384

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) 3.92 6.2 -46.1 3 3 1 46 292.786 6
Hi High (pH 8-9.5) 3.92 4.81 -6.01 2 3 0 41 291.778 6

Activity (Go SEA)

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