UCSF

ZINC32602724

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 37 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) -0.05 0.21 -53.44 9 11 1 187 537.707 16
Mid Mid (pH 6-8) -0.05 -0.13 -14.48 8 11 0 186 536.699 16

Activity (Go SEA)

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