UCSF

ZINC35644607

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 16 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) 1.64 2.53 -52.42 3 4 1 63 243.352 5
Mid Mid (pH 6-8) 1.64 2.7 -59.02 2 4 0 65 242.344 5

Activity (Go SEA)

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