UCSF

ZINC36299257

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 16 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) 1.43 3.04 -41.77 2 4 0 65 242.344 6
Mid Mid (pH 6-8) 1.43 2.97 -50.06 3 4 1 63 243.352 6

Activity (Go SEA)

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