UCSF

ZINC00451440

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 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 -1.78 -7.26 1 4 0 55 255.217 4
Hi High (pH 8-9.5) 4.78 -1.21 -31.91 0 4 -1 57 254.209 4

Activity (Go SEA)

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