UCSF

ZINC33238075

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2009 30 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) 2.04 8.36 -12.02 0 7 0 67 406.534 5
Mid Mid (pH 6-8) 2.04 10.64 -48.65 1 7 1 68 407.542 5
Mid Mid (pH 6-8) 2.04 8.75 -44.84 1 7 1 68 407.542 5
Lo Low (pH 4.5-6) 2.04 11.02 -129.53 2 7 2 70 408.55 5

Activity (Go SEA)

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