UCSF

ZINC28002083

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 28 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) 0.62 8.01 -93.4 2 7 0 91 391.443 6
Mid Mid (pH 6-8) -2.13 6.91 -86.81 3 7 1 94 392.451 5

Activity (Go SEA)

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