UCSF

ZINC02580003

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 23 Yes

Other Names:

MFCD02261019

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) 4.49 11.71 -55.39 0 4 -1 66 311.357 9
Lo Low (pH 4.5-6) 4.49 9.73 -17.5 1 4 0 64 312.365 9

Activity (Go SEA)

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