UCSF

ZINC28766463

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 26 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) 0.43 9.22 -100.93 1 6 0 70 361.417 4
Mid Mid (pH 6-8) -2.31 8.12 -88.07 2 6 1 73 362.425 3

Activity (Go SEA)

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