UCSF

ZINC21787098

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 27 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) 4.51 12.91 -16.66 0 4 0 38 361.489 6
Mid Mid (pH 6-8) 4.51 13.4 -31.65 1 4 1 39 362.497 6

Activity (Go SEA)

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