UCSF

ZINC37292618

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 4.18 9.46 -32.19 2 2 1 16 371.286 3
Hi High (pH 8-9.5) 4.18 7.22 -1.35 1 2 0 15 370.278 3
Lo Low (pH 4.5-6) 4.18 10.57 -113.64 3 2 2 21 372.294 3

Activity (Go SEA)

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