UCSF

ZINC02993608

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 19 No

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) 2.04 7.31 -11.11 1 4 0 55 290.369 1
Mid Mid (pH 6-8) 2.49 5.51 -46.07 0 4 -1 58 289.361 1

Activity (Go SEA)

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