UCSF

ZINC32249152

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 25 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) 3.29 6.12 -11.4 1 4 0 42 407.283 5
Lo Low (pH 4.5-6) 3.29 8.51 -53.95 2 4 1 43 408.291 5

Activity (Go SEA)

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