UCSF

ZINC37116086

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 No

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) 0.96 0.59 -43.23 2 8 -1 135 315.327 4
Mid Mid (pH 6-8) 0.96 -0.39 -14.11 3 8 0 132 316.335 4

Activity (Go SEA)

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