UCSF

ZINC26473768

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.70 10.98 -43.6 1 6 -1 91 382.465 8
Hi High (pH 8-9.5) 3.70 9.97 -103.88 0 6 -2 89 381.457 8
Mid Mid (pH 6-8) 3.70 11.05 -46.12 1 6 -1 91 382.465 8

Activity (Go SEA)

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