UCSF

ZINC49581331

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 27 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) 2.86 6.7 -14.86 0 6 0 62 362.433 4
Mid Mid (pH 6-8) 2.86 8.88 -49.67 1 6 1 64 363.441 4

Activity (Go SEA)

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