UCSF

ZINC44824649

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 16 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) 0.95 4.12 -7.14 0 4 0 47 221.304 3
Mid Mid (pH 6-8) 0.95 6.32 -41.76 1 4 1 49 222.312 3

Activity (Go SEA)

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