UCSF

ZINC44221777

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 17 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) 2.24 2.96 -54.16 1 5 -1 79 237.231 4
Mid Mid (pH 6-8) 2.24 0.94 -9.23 2 5 0 76 238.239 4

Activity (Go SEA)

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