UCSF

ZINC19850955

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 19 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) 2.20 5.59 -38.13 1 4 1 26 263.361 3
Hi High (pH 8-9.5) 2.20 3.32 -5.29 0 4 0 25 262.353 3
Mid Mid (pH 6-8) 2.20 5.65 -41.05 1 4 1 26 263.361 3

Activity (Go SEA)

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