UCSF

ZINC02847208

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 30 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) 4.85 12.97 -15.64 1 6 0 73 435.578 7
Hi High (pH 8-9.5) 5.03 11.54 -48.23 0 6 -1 79 434.57 7

Activity (Go SEA)

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