UCSF

ZINC36780543

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 14 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) -0.07 2.5 -45.51 3 5 1 72 203.262 8
Mid Mid (pH 6-8) -0.07 1.13 -9.4 2 5 0 67 202.254 8

Activity (Go SEA)

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