UCSF

ZINC34992921

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 Yes

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) 2.53 5.87 -35.76 2 4 1 38 281.42 8
Mid Mid (pH 6-8) 2.53 6.58 -30.92 2 4 1 35 281.42 8
Lo Low (pH 4.5-6) 2.53 7.98 -106.76 3 4 2 40 282.428 8

Activity (Go SEA)

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