UCSF

ZINC37078779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.63 8.52 -34.28 3 2 1 30 255.385 5
Hi High (pH 8-9.5) 1.63 6.88 -42.49 3 2 1 31 255.385 5
Mid Mid (pH 6-8) 1.63 8.86 -128.67 4 2 2 32 256.393 5

Activity (Go SEA)

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