UCSF

ZINC02900961

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 30 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) 6.70 -0.96 -10.65 2 3 0 48 388.47 4
Mid Mid (pH 6-8) 6.70 -0.76 -32.23 3 3 1 50 389.478 4

Activity (Go SEA)

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