UCSF

ZINC37486079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 13 Yes

Other Names:

MFCD08456867

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) 0.25 3.4 -43.38 2 3 1 39 181.259 6
Hi High (pH 8-9.5) 0.25 2.06 -4.4 1 3 0 34 180.251 6

Activity (Go SEA)

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