UCSF

ZINC42914212

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 3.04 7.05 -112.59 4 2 2 32 254.393 6
Mid Mid (pH 6-8) 3.04 5.89 -36.17 3 2 1 30 253.385 6
Mid Mid (pH 6-8) 3.04 5.84 -43.13 3 2 1 31 253.385 6

Activity (Go SEA)

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