UCSF

ZINC37800588

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -2.28 -1.53 -49.82 3 7 1 81 285.368 3
Mid Mid (pH 6-8) -2.28 0.64 -106.55 4 7 2 82 286.376 3

Activity (Go SEA)

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