UCSF

ZINC21517948

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 19 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) 4.93 7.08 -45.16 3 2 1 37 362.074 3
Mid Mid (pH 6-8) 4.93 6.82 -3.04 2 2 0 35 361.066 3

Activity (Go SEA)

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