UCSF

ZINC33941677

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 1.37 2.21 -11.34 3 7 0 93 330.417 4
Mid Mid (pH 6-8) 1.37 4.48 -43.17 4 7 1 94 331.425 4

Activity (Go SEA)

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