UCSF

ZINC36358401

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 22 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) 3.09 7.34 -8.2 1 4 0 50 374.263 2
Ref Reference (pH 7) 2.90 10.02 -8.75 1 4 0 47 374.263 2
Mid Mid (pH 6-8) 2.90 10.48 -43.67 2 4 1 48 375.271 2

Activity (Go SEA)

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