UCSF

ZINC22913107

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 22 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) -0.37 1.17 -40 3 7 1 75 313.422 8
Hi High (pH 8-9.5) -0.37 1.1 -38.02 3 7 1 75 313.422 8
Mid Mid (pH 6-8) -0.37 -1.14 -14.72 2 7 0 74 312.414 8

Activity (Go SEA)

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