UCSF

ZINC33121311

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2009 34 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) 3.68 7.84 -53.25 4 7 1 95 500.044 7
Hi High (pH 8-9.5) 3.68 7.91 -67.02 3 7 0 97 499.036 7
Hi High (pH 8-9.5) 3.68 6.5 -40.38 2 7 -1 93 498.028 7

Activity (Go SEA)

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