UCSF

ZINC45702636

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 13 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) 0.09 4.92 -49.11 2 4 1 67 185.247 7
Mid Mid (pH 6-8) 0.09 3.71 -9.34 1 4 0 62 184.239 7

Activity (Go SEA)

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