UCSF

ZINC37825507

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 No

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) -1.27 3.22 -19.97 1 5 0 80 238.316 5
Mid Mid (pH 6-8) -1.27 4.51 -59.88 2 5 1 84 239.324 5

Activity (Go SEA)

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