UCSF

ZINC20997458

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 23 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) 1.40 3.88 -55.99 3 5 1 58 320.457 8
Mid Mid (pH 6-8) 1.40 4.76 -33.19 3 5 1 55 320.457 8
Lo Low (pH 4.5-6) 1.40 6.22 -116.23 4 5 2 59 321.465 8

Activity (Go SEA)

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