UCSF

ZINC35874811

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 16 Yes

CAS Number: 21158-73-6

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) 2.88 5.71 -4.74 2 3 0 52 241.718 5
Mid Mid (pH 6-8) 2.88 5.97 -43.32 3 3 1 54 242.726 5

Activity (Go SEA)

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