UCSF

ZINC00340140

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 Yes

Other Names:

MFCD01131095

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) 4.87 10.47 -15.83 1 4 0 55 343.496 4
Hi High (pH 8-9.5) 4.94 9.58 -47.7 0 4 -1 61 342.488 4

Activity (Go SEA)

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