UCSF

ZINC64471529

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2011 34 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) 6.11 12.97 -16.19 3 8 0 97 453.502 6
Mid Mid (pH 6-8) 6.11 12.56 -39.03 4 8 1 99 454.51 6

Activity (Go SEA)

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