UCSF

ZINC36974743

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 1.94 7.75 -58.29 1 5 -1 81 500.05 2
Mid Mid (pH 6-8) 1.94 9.02 -130.08 0 5 -2 83 499.042 2

Activity (Go SEA)

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