UCSF

ZINC20181729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) -1.00 1.31 -58.29 3 5 1 60 242.343 4
Mid Mid (pH 6-8) -1.00 3.58 -128.06 4 5 2 62 243.351 4

Activity (Go SEA)

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