UCSF

ZINC36284330

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 21 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) -1.35 -0.82 -13.38 2 8 0 98 315.399 4
Mid Mid (pH 6-8) -1.35 0.47 -59.2 3 8 1 103 316.407 4

Activity (Go SEA)

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