UCSF

ZINC36355012

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 28 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) 2.21 4.83 -13.3 2 7 0 89 383.379 4
Ref Reference (pH 7) 2.03 7.48 -14.24 2 7 0 86 383.379 4

Activity (Go SEA)

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