UCSF

ZINC02579965

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 22 Yes

Other Names:

MFCD02260972

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) 5.64 13.37 -50.95 0 3 -1 57 303.422 12
Lo Low (pH 4.5-6) 5.64 11.39 -12.75 1 3 0 54 304.43 12

Activity (Go SEA)

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