UCSF

ZINC22073509

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 13 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) 2.11 5.22 -35.06 2 2 1 20 185.335 5
Hi High (pH 8-9.5) 2.11 6.01 -30.28 2 2 1 16 185.335 5
Mid Mid (pH 6-8) 2.11 7.27 -112.53 3 2 2 21 186.343 5

Activity (Go SEA)

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