UCSF

ZINC20485085

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 14 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) 1.38 3.16 -107.49 5 3 2 52 204.358 9
Mid Mid (pH 6-8) 1.38 2.78 -32.11 4 3 1 51 203.35 9

Activity (Go SEA)

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