UCSF

ZINC36077011

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 23 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) 0.95 3.86 -15.72 0 6 0 61 337.445 3
Mid Mid (pH 6-8) 0.95 6.01 -50.59 1 6 1 62 338.453 3

Activity (Go SEA)

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