UCSF

ZINC06769265

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2006 30 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) 4.08 10.3 -15.21 1 5 0 62 397.478 4
Lo Low (pH 4.5-6) 4.08 11.15 -35.48 2 5 1 63 398.486 4

Activity (Go SEA)

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