UCSF

ZINC34686385

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 4.09 14.21 -56.59 2 6 1 63 476.641 8
Hi High (pH 8-9.5) 4.27 11.63 -51.27 1 6 0 69 475.633 8

Activity (Go SEA)

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