UCSF

ZINC45701502

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) 1.01 4.79 -45.72 3 5 1 72 245.343 9
Mid Mid (pH 6-8) 1.01 3.17 -8.93 2 5 0 67 244.335 9

Activity (Go SEA)

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