UCSF

ZINC19345037

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 32 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) 3.04 5.49 -15.76 0 7 0 60 438.524 8
Mid Mid (pH 6-8) 3.04 7.9 -50.21 1 7 1 62 439.532 8

Activity (Go SEA)

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