UCSF

ZINC19840420

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 4.02 5.82 -12.08 2 3 0 49 275.735 2
Mid Mid (pH 6-8) 4.02 6.48 -43.08 1 3 -1 52 274.727 2

Activity (Go SEA)

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