UCSF

ZINC37760575

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 18 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) 2.60 5.58 -53.3 1 4 -1 65 241.27 2
Mid Mid (pH 6-8) 2.60 4.57 -10.96 2 4 0 62 242.278 2
Mid Mid (pH 6-8) 2.60 6.05 -41.13 2 4 0 66 242.278 2

Activity (Go SEA)

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