UCSF

ZINC00057591

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Other Names:

MFCD00043009

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) 0.53 1.35 -7.94 2 4 0 66 244.294 3
Lo Low (pH 4.5-6) 0.53 1.91 -96.52 4 4 2 69 246.31 3
Lo Low (pH 4.5-6) 0.53 1.63 -37.86 3 4 1 67 245.302 3

Activity (Go SEA)

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