UCSF

ZINC37787509

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 3.80 7.43 -5.83 1 3 0 30 237.391 7
Mid Mid (pH 6-8) 3.80 7.57 -23.33 2 3 1 31 238.399 7

Activity (Go SEA)

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