UCSF

ZINC36990359

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 0.21 1.28 -50.86 3 6 1 67 266.369 5
Hi High (pH 8-9.5) 0.21 0.07 -12.97 2 6 0 62 265.361 5
Lo Low (pH 4.5-6) 0.21 3.44 -120.35 4 6 2 68 267.377 5

Activity (Go SEA)

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