UCSF

ZINC04289734

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 26 Yes

Other Names:

MFCD03186003

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) 6.19 -2.78 -9.04 1 4 0 55 408.306 5
Hi High (pH 8-9.5) 6.19 -2.21 -35.83 0 4 -1 57 407.298 5

Activity (Go SEA)

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