UCSF

ZINC36778710

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 3.89 8.75 -4.6 1 1 0 12 255.336 4
Mid Mid (pH 6-8) 3.89 10.16 -46.52 2 1 1 17 256.344 4

Activity (Go SEA)

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