UCSF

ZINC36993829

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.90 8.99 -33.91 2 2 1 30 244.358 5
Mid Mid (pH 6-8) 3.90 8.19 -4.17 1 2 0 25 243.35 5

Activity (Go SEA)

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