UCSF

ZINC36959746

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.80 2.11 -9.75 3 4 0 61 305.205 6
Mid Mid (pH 6-8) 2.80 2.86 -41.61 2 4 -1 64 304.197 6
Mid Mid (pH 6-8) 2.80 4.14 -33.8 3 4 0 69 305.205 6

Activity (Go SEA)

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