UCSF

ZINC02580119

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 21 Yes

Other Names:

MFCD02261138

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) 3.71 9.84 -50.3 0 3 -1 57 305.247 8
Lo Low (pH 4.5-6) 3.71 7.87 -13.55 1 3 0 54 306.255 8

Activity (Go SEA)

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