UCSF

ZINC37038211

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 1.10 3.36 -49.58 3 4 1 51 254.398 4
Hi High (pH 8-9.5) 1.10 2.96 -6.97 2 4 0 50 253.39 4
Lo Low (pH 4.5-6) 1.10 5.56 -126.87 4 4 2 52 255.406 4

Activity (Go SEA)

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