UCSF

ZINC22055422

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 34 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) 2.10 10.53 -56.04 3 10 0 128 502 7
Hi High (pH 8-9.5) 2.10 10.45 -53.14 2 10 -1 126 500.992 7
Mid Mid (pH 6-8) 2.10 10.82 -61.23 3 10 0 128 502 7
Lo Low (pH 4.5-6) 2.10 11.17 -82.3 4 10 1 129 503.008 7
Lo Low (pH 4.5-6) 2.10 10.81 -92.24 4 10 1 129 503.008 7

Activity (Go SEA)

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