UCSF

ZINC21637376

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 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) 0.90 3.82 -10.91 1 9 0 81 361.45 6
Mid Mid (pH 6-8) 0.90 6.15 -47.32 2 9 1 82 362.458 6
Lo Low (pH 4.5-6) 0.90 6.48 -96.28 3 9 2 83 363.466 6

Activity (Go SEA)

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