UCSF

ZINC00134785

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 4.78 -2.46 -9.3 1 3 0 46 311.406 4
Hi High (pH 8-9.5) 4.78 -1.95 -44.76 0 3 -1 48 310.398 4

Activity (Go SEA)

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