UCSF

ZINC35774137

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 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) -0.14 0.16 -43.37 3 3 1 40 173.28 4
Mid Mid (pH 6-8) -0.14 2.35 -95.21 4 3 2 41 174.288 4

Activity (Go SEA)

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