UCSF

ZINC06729216

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 27 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) 3.80 8.58 -15.98 2 5 0 67 381.501 9
Lo Low (pH 4.5-6) 3.80 9.06 -35.57 3 5 1 68 382.509 9

Activity (Go SEA)

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