UCSF

ZINC00025359

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 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) 1.52 9.86 -42.03 2 5 1 55 309.393 2
Mid Mid (pH 6-8) 1.52 9.52 -13.7 1 5 0 54 308.385 2

Activity (Go SEA)

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