UCSF

ZINC37005968

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.12 3.66 -56.24 1 7 -1 107 313.355 7
Mid Mid (pH 6-8) -0.12 3.69 -111.91 0 7 -2 109 312.347 7
Lo Low (pH 4.5-6) -0.12 1.71 -55.68 1 7 -1 106 313.355 7

Activity (Go SEA)

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