UCSF

ZINC00259703

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 Yes

Other Names:

MFCD01141699

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) 3.24 8.62 -10.26 0 4 0 36 268.316 5
Lo Low (pH 4.5-6) 3.24 9.09 -36.42 1 4 1 38 269.324 5

Activity (Go SEA)

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