UCSF

ZINC45699624

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) 3.18 8.42 -36.5 1 3 1 25 328.274 8
Hi High (pH 8-9.5) 3.18 5.94 -8.41 0 3 0 24 327.266 8

Activity (Go SEA)

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