UCSF

ZINC37799548

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) -0.29 1.75 -42.29 2 5 1 49 242.343 4
Hi High (pH 8-9.5) -0.29 0.31 -8.58 1 5 0 45 241.335 4
Mid Mid (pH 6-8) -0.29 3.99 -94.94 3 5 2 51 243.351 4

Activity (Go SEA)

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