UCSF

ZINC58193654

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 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) 2.71 8.67 -11.65 1 5 0 54 361.243 4
Mid Mid (pH 6-8) 2.71 9.46 -34.89 2 5 1 55 362.251 4

Activity (Go SEA)

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