UCSF

ZINC24986988

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 37 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) 4.09 10.58 -59.71 3 8 1 94 499.591 7
Hi High (pH 8-9.5) 4.09 8.23 -27.09 2 8 0 93 498.583 7

Activity (Go SEA)

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