UCSF

ZINC00200867

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 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) 3.60 -0.31 -8.17 1 4 0 46 287.407 6
Mid Mid (pH 6-8) 0.19 -0.09 -29.99 2 4 1 48 288.415 6

Activity (Go SEA)

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