UCSF

ZINC37854760

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.79 2.98 -43.79 3 4 1 49 291.415 5
Mid Mid (pH 6-8) 0.79 3.53 -27.93 2 4 0 52 290.407 5
Mid Mid (pH 6-8) 0.79 5.28 -113.56 4 4 2 51 292.423 5

Activity (Go SEA)

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