UCSF

ZINC38215331

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 27 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) 4.70 14.83 -43.23 1 2 1 9 385.503 4
Mid Mid (pH 6-8) 4.70 12.72 -7.71 0 2 0 8 384.495 4

Activity (Go SEA)

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