UCSF

ZINC27757745

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 27 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) 3.88 8.54 -11.86 0 5 0 40 385.895 7
Mid Mid (pH 6-8) 3.88 8.94 -34.14 1 5 1 41 386.903 7

Activity (Go SEA)

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