UCSF

ZINC37309752

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 3.18 9.25 -57.73 0 5 -1 67 289.355 8
Mid Mid (pH 6-8) 3.18 9.55 -53.63 1 5 0 68 290.363 8

Activity (Go SEA)

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