UCSF

ZINC37795973

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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 2.4 -48.74 2 7 -1 115 249.202 4
Mid Mid (pH 6-8) 0.57 -0.23 -103.01 1 7 -2 118 248.194 4
Lo Low (pH 4.5-6) 0.12 0.44 -15.03 3 7 0 112 250.21 4

Activity (Go SEA)

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