UCSF

ZINC44685632

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 2.01 5.94 -30.47 2 3 1 26 241.399 6
Lo Low (pH 4.5-6) 2.01 4.75 -29.87 2 3 1 29 241.399 6
Lo Low (pH 4.5-6) 2.01 7.17 -96.68 3 3 2 30 242.407 6

Activity (Go SEA)

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