UCSF

ZINC22585529

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 28 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) 3.11 8.16 -46.21 2 6 1 67 383.468 5
Mid Mid (pH 6-8) 3.11 8.7 -24.64 1 6 0 70 382.46 5
Mid Mid (pH 6-8) 3.11 8.08 -33.14 2 6 1 67 383.468 5
Mid Mid (pH 6-8) 3.11 6.31 -51.95 0 6 -1 69 381.452 5
Mid Mid (pH 6-8) 3.11 5.69 -14.76 1 6 0 66 382.46 5

Activity (Go SEA)

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