UCSF

ZINC12984316

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 27 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) 1.53 6.41 -46.32 3 7 1 79 368.461 5
Mid Mid (pH 6-8) 1.53 3.94 -13.5 2 7 0 78 367.453 5

Activity (Go SEA)

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