UCSF

ZINC36777624

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 0.13 2.94 -52.6 1 7 -1 106 294.312 5
Mid Mid (pH 6-8) 0.13 3.58 -69.09 2 7 0 107 295.32 5

Activity (Go SEA)

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