UCSF

ZINC36365035

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 28 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) 3.53 9.13 -12.06 1 5 0 74 382.345 3
Ref Reference (pH 7) 3.34 11.81 -12.61 1 5 0 71 382.345 3
Mid Mid (pH 6-8) 3.34 12.26 -52.52 2 5 1 72 383.353 3

Activity (Go SEA)

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