UCSF

ZINC02580018

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 20 Yes

Other Names:

MFCD02261035

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) 2.80 8.64 -54.65 0 5 -1 76 279.312 9
Lo Low (pH 4.5-6) 2.80 6.66 -15.28 1 5 0 73 280.32 9

Activity (Go SEA)

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