UCSF

ZINC37101315

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) 2.89 3.85 -34.65 4 4 1 67 281.335 3
Mid Mid (pH 6-8) 2.89 3.5 -11.14 3 4 0 65 280.327 3

Activity (Go SEA)

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