UCSF

ZINC04619972

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 27 No

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) 5.30 12.63 -41.55 1 4 1 39 362.497 3
Mid Mid (pH 6-8) 5.30 10.34 -10.67 0 4 0 38 361.489 3

Activity (Go SEA)

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