UCSF

ZINC70613180

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 15 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) 2.60 7.91 -109.83 3 2 2 21 212.381 5
Hi High (pH 8-9.5) 2.60 6.63 -32.41 2 2 1 16 211.373 5
Mid Mid (pH 6-8) 2.60 5.84 -34.93 2 2 1 20 211.373 5

Activity (Go SEA)

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