UCSF

ZINC05153479

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 26 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) 1.80 -5.2 -16.17 1 7 0 84 372.402 3
Hi High (pH 8-9.5) 1.80 -4.62 -43.69 0 7 -1 87 371.394 3

Activity (Go SEA)

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