UCSF

ZINC34938206

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 16 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) 2.42 6.87 -43.99 1 4 1 33 241.746 3
Mid Mid (pH 6-8) 2.42 4.64 -7.18 0 4 0 32 240.738 3

Activity (Go SEA)

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