UCSF

ZINC06362299

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2006 19 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) 2.67 5.49 -15.15 1 4 0 70 272.329 4
Mid Mid (pH 6-8) 2.67 5.62 -51.24 0 4 -1 72 271.321 4

Activity (Go SEA)

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