UCSF

ZINC19900479

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 17 Yes

Other Names:

MFCD11140906

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) 4.42 5.52 -4.24 2 2 0 32 268.143 3
Hi High (pH 8-9.5) 4.42 6.14 -40.17 1 2 -1 35 267.135 3

Activity (Go SEA)

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