UCSF

ZINC37202070

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 1.19 5.58 -38.48 3 5 1 58 274.392 8
Mid Mid (pH 6-8) 1.19 3.84 -40.28 3 5 1 61 274.392 8
Lo Low (pH 4.5-6) 1.19 5.94 -112.21 4 5 2 63 275.4 8

Activity (Go SEA)

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