UCSF

ZINC36777633

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 0.20 3.68 -94.56 5 4 2 69 208.309 6
Mid Mid (pH 6-8) -2.97 3.85 -31.27 5 4 1 69 207.301 6

Activity (Go SEA)

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