UCSF

ZINC36328320

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 4.04 6.98 -118.95 4 2 2 32 254.462 3
Mid Mid (pH 6-8) 4.04 5.62 -39.19 3 2 1 31 253.454 3

Activity (Go SEA)

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