UCSF

ZINC12601314

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 3.10 11.39 -15.27 0 5 0 41 360.461 4
Mid Mid (pH 6-8) 3.10 13.13 -104.83 2 5 2 43 362.477 4
Mid Mid (pH 6-8) 3.10 11.8 -35.59 1 5 1 42 361.469 4

Activity (Go SEA)

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