UCSF

ZINC35387307

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 16 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) -1.34 3.15 -44.33 3 6 0 99 243.288 5
Mid Mid (pH 6-8) -1.52 1.9 -53.69 2 6 -1 105 242.28 5

Activity (Go SEA)

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