UCSF

ZINC13567321

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 31 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) 4.62 6.54 -46.38 1 7 -1 96 436.513 6
Mid Mid (pH 6-8) 4.16 8.48 -12.8 2 7 0 93 437.521 6
Mid Mid (pH 6-8) 4.16 7.95 -19.15 2 7 0 93 437.521 6

Activity (Go SEA)

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