UCSF

ZINC33838224

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 31 No

CAS Number: 56990-57-9

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) -1.99 0.97 -92.2 1 10 -2 169 457.445 4
Hi High (pH 8-9.5) -0.81 -1.47 -179.16 0 10 -3 175 456.437 4

Activity (Go SEA)

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