UCSF

ZINC00645511

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 33 Yes

Other Names:

MFCD04092271

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 11.91 -13.35 2 8 0 94 438.491 5
Lo Low (pH 4.5-6) 3.71 12.19 -43.44 3 8 1 95 439.499 5

Activity (Go SEA)

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