UCSF

ZINC37802018

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.28 2.52 -43.75 3 4 1 51 268.406 4
Hi High (pH 8-9.5) 0.28 2.21 -7.13 2 4 0 50 267.398 4
Lo Low (pH 4.5-6) 0.28 4.74 -104.45 4 4 2 52 269.414 4

Activity (Go SEA)

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