UCSF

ZINC35115335

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 12 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) 0.57 1.52 -36.93 3 4 1 63 176.236 7
Mid Mid (pH 6-8) 0.57 0.17 -6.81 2 4 0 59 175.228 7

Activity (Go SEA)

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