UCSF

ZINC04669039

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2005 23 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) 2.10 5.22 -11.13 1 5 0 64 307.353 5
Mid Mid (pH 6-8) 2.16 3.59 -33.34 2 5 1 69 308.361 5

Activity (Go SEA)

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