UCSF

ZINC34951200

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.97 4.96 -11.35 3 3 0 59 296.292 1
Mid Mid (pH 6-8) 2.97 5.01 -59.04 4 3 1 61 297.3 1

Activity (Go SEA)

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