UCSF

ZINC36777343

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 1.74 4.16 -43.28 3 3 1 44 236.383 7
Mid Mid (pH 6-8) 1.74 4.82 -89.99 4 3 2 45 237.391 7
Mid Mid (pH 6-8) 1.74 5.56 -30.35 3 3 1 43 236.383 7

Activity (Go SEA)

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