UCSF

ZINC49551491

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 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) 3.24 6.31 -13.1 2 6 0 89 362.385 6
Mid Mid (pH 6-8) 3.24 7.13 -51.25 1 6 -1 91 361.377 6

Activity (Go SEA)

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