UCSF

ZINC35765328

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.18 7.52 -124.8 4 2 2 32 268.832 5
Hi High (pH 8-9.5) 3.18 7.77 -31.28 3 2 1 30 267.824 5
Mid Mid (pH 6-8) 3.18 6.01 -47.81 3 2 1 31 267.824 5

Activity (Go SEA)

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