UCSF

ZINC08995338

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 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) 4.96 9.7 -12.39 1 5 0 72 384.844 2
Hi High (pH 8-9.5) 5.03 8.4 -40.84 0 5 -1 79 383.836 2

Activity (Go SEA)

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