UCSF

ZINC19913774

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 Yes

Other Names:

MFCD11143475

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) 3.55 6.31 -4.98 2 2 0 32 239.318 3
Hi High (pH 8-9.5) 3.55 6.93 -43.77 1 2 -1 35 238.31 3

Activity (Go SEA)

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