UCSF

ZINC36234034

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 1.20 2.23 -47.82 4 4 1 70 217.248 2
Mid Mid (pH 6-8) 1.20 1.91 -7.64 3 4 0 68 216.24 2

Activity (Go SEA)

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