UCSF

ZINC32099581

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 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) 2.36 5.81 -140.79 0 5 -2 93 243.218 3
Lo Low (pH 4.5-6) 2.36 6.18 -86.53 1 5 -1 94 244.226 3

Activity (Go SEA)

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