UCSF

ZINC37814414

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 3.14 6.4 -40.93 3 3 1 48 283.358 9
Mid Mid (pH 6-8) 3.14 6.11 -6.39 2 3 0 46 282.35 9

Activity (Go SEA)

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