UCSF

ZINC34777867

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 36 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) 6.40 15.25 -44.68 1 5 1 35 502.532 8
Mid Mid (pH 6-8) 6.40 13.04 -11.99 0 5 0 34 501.524 8

Activity (Go SEA)

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